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A topological index is a real number which is derived from a network or a graph by mathematically that characterizes the whole of its structural properties. Recently, there are various topological indices that have been introduced in…
Topological indices have important role in theoretical chemistry for QSPR researches. Among the all topological indices the Randi\'c and the Zagreb indices have been used more considerably than any other topological indices in chemical and…
Topological indices are graph invariants numeric quantities, which are utilized by researchers to analyze a variety of physiochemical aspects of molecules. The goal of developing topological indices is to give each chemical structure a…
Applications in chemistry motivated mathematicians to define different topological indices for different types of graphs. The Hyper-Zagreb index (HM) is an important tool as it integrates the first and the second Zagreb indices. In this…
The concepts of geometric-arithmetic and harmonic indices were introduced in the area of chemical graph theory recently. They have proven to correlate well with physical and chemical properties of some molecules. The aim of this paper is to…
In chemical graph theory, caterpillar trees have been an appealing model to represent the molecular structures of benzenoid hydrocarbon. Meanwhile, topological index has been thought of as a powerful tool for modeling quantitative…
There is powerful relation between the chemical behaviour of chemical compounds and their molecular structures. Topological indices defined on these chemical molecular structures are capable to predict physical properties, chemical…
Many types of topological indices such as degree-based topological indices, distance-based topological indices and counting related topological indices are explored during past recent years. Among degree based topological indices, Zagreb…
In this paper, four novel topological indices named as neighbourhood version of forgotten topological index (F_N), modified neighbourhood version of Forgotten topological index ($F_N^*$), neighbourhood version of second Zagreb index…
In theoretical chemistry molecular structure descriptors are used for modeling physico-chemical, pharmacological, toxicologic, biological and other properties of chemical compounds. In this paper we study distance-based graph invariants and…
Topological indices play an important role in mathematical chemistry especially in the quantitative structure-property relationship (QSPR) and quantitative structure-activity relationship (QSAR). Recent research indicates that the augmented…
We provide a physical interpretation of the Kirchhoff index of any molecules as well as of the Wiener index of acyclic ones. For the purpose, we use a local vertex invariant that is obtained from first principles and describes the atomic…
We find simple saturated alcohols with the given number of carbon atoms and the minimal normal boiling point. The boiling point is predicted with a weighted sum of the generalized first Zagreb index, the second Zagreb index, the Wiener…
In this paper, we investigate The relationship between the Albertson index and the first Zagreb index for trees. For a tree $T=(V,E)$ with $n=|V|$ vertices and $m=|E|$ edges, we provide several bounds and exact formulas for these two…
We will study a class of system composed of interacting unicyclic machines placed in contact with a hot and cold thermal baths subjected to a non-conservative driving worksource. Despite their simplicity, these models showcase an intricate…
Recurrence is a fundamental characteristic of dynamical systems with complicated behavior. Understanding the inner structure of recurrence is challenging, especially if the system has many degrees of freedom and is subject to noise. We…
A topological index reflects the physical, chemical and structural properties of a molecule, and its study has an important role in molecular topology, chemical graph theory and mathematical chemistry. It is a natural problem to…
Topological indices are scientific details of graphs which represents its topology and of the most part graph invariant. In QSAR/QSPR, physico-chemical characteristics and topological indices, for example, atom bond connectivity (ABC) and…
The thermoelectric properties in one- and two-dimensional silicon and germanium structures have been investigated using first-principle density functional techniques and linear response for the thermal and electrical transport. We have…
Thermoelectric effects, measured by the Seebeck coefficients, refer to the phenomena in which a temperature difference or gradient imposed across a thermoelectric material induces an electrical potential difference or gradient, and vice…